6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H17FN6O2 — CID 122669671

IUPAC6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(F)cc(N2CCc3nc(-c4ncccn4)ncc3C2OC)n1
InChIInChI=1S/C18H17FN6O2/c1-26-15-9-11(19)8-14(24-15)25-7-4-13-12(18(25)27-2)10-22-17(23-13)16-20-5-3-6-21-16/h3,5-6,8-10,18H,4,7H2,1-2H3
InChIKeyVECWPIRJTVMYST-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.18
Rot. Bonds4

About 6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 122669671) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID122669671
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(F)cc(N2CCc3nc(-c4ncccn4)ncc3C2OC)n1
InChIInChI=1S/C18H17FN6O2/c1-26-15-9-11(19)8-14(24-15)25-7-4-13-12(18(25)27-2)10-22-17(23-13)16-20-5-3-6-21-16/h3,5-6,8-10,18H,4,7H2,1-2H3
InChIKeyVECWPIRJTVMYST-UHFFFAOYSA-N
XLogP2.18
TPSA86.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 122669671) is 6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(F)cc(N2CCc3nc(-c4ncccn4)ncc3C2OC)n1.
What is the InChIKey of 6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VECWPIRJTVMYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-26-15-9-11(19)8-14(24-15)25-7-4-13-12(18(25)27-2)10-22-17(23-13)16-20-5-3-6-21-16/h3,5-6,8-10,18H,4,7H2,1-2H3.
What are the key properties of 6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 368.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-6-methoxy-2-pyridinyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 122669671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).